SCHEMBL16632437

SCHEMBL16632437

Oc1cc(Cl)ccc1Oc1cccc2occc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAPT P10636 1/20 0.51
HSPA5 P11021 1/20 0.51
HPGD P15428 1/20 0.51
CBR1 P16152 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
AGTR1 P30556 1/20 0.51
SLC6A3 Q01959 1/20 0.51
FADS1 O60427 1/20 0.40
KCNA3 P22001 1/20 0.40
RHEB Q15382 2/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TRPA1 O75762 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16632750 0.82 SLC6A4 (0.48) TTRLMNAMAPTHPGDSLC6A2
SCHEMBL16632654 0.78 TTR (0.49) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL29875959 0.78 RHEB (0.52) LMNAMAPTSLC6A2SLC6A3FADS1
SCHEMBL16632498 0.77 TTR (0.51) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL10540653 0.76 TTR (0.83) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL16632556 0.75 TTR (0.46) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL3484014 0.74 KCNA3 (0.40) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL2048311 0.74 TRPA1 (0.38) LMNAHPGDFADS1KCNA3MAOA
SCHEMBL2136172 0.72 TTR (0.66) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL10765474 0.72 TTR (0.76) TTRNR1I2LMNAPGRHSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TTR 4120/4885NR1I2 3463/4885LMNA 3719/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.